[(Z)-[azanyl(thiophen-2-yl)methylidene]amino] 2-(4-bromanylpyrazol-1-yl)butanoate

Systemtic Name: [(Z)-[azanyl(thiophen-2-yl)methylidene]amino] 2-(4-bromanylpyrazol-1-yl)butanoate Openeye Name: [(Z)-[amino(2-thienyl)methylene]amino] 2-(4-bromopyrazol-1-yl)butanoate CAS Name: 2-(4-bromo-1-pyrazolyl)butanoic acid [(Z)-[amino(thiophen-2-yl)methylidene]amino] ester IUPAC Name: [(Z)-[amino(thiophen-2-yl)methylidene]amino] 2-(4-bromopyrazol-1-yl)butanoate Traditional Name: 2-(4-bromopyrazol-1-yl)butyric acid [(Z)-[amino(2-thienyl)methylene]amino] ester Formula: C12H13BrN4O2S MolecularWeight: 357.22622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)ON=C(C1=CC=CS1)N)N2C=C(C=N2)Br

Isomeric SMILES

CCC(C(=O)O/N=C(/C1=CC=CS1)\N)N2C=C(C=N2)Br

InChI

InChI=1S/C12H13BrN4O2S/c1-2-9(17-7-8(13)6-15-17)12(18)19-16-11(14)10-4-3-5-20-10/h3-7,9H,2H2,1H3,(H2,14,16)